Finding a needle in a haystack: the role of electrostatics in target lipid recognition by PH domains by Lumb, C, Sansom, MS

“…Interactions between protein domains and lipid molecules play key roles in controlling cell membrane signalling and trafficking. The pleckstrin homology (PH) domain is one of the most widespread, binding specifically to phosphatidylinositol phosphates (PIPs) in cell membranes. …”

Studies on viral fusion peptides: the distribution of lipophilic and electrostatic potential over the peptide determines the angle of insertion into a membrane. by Taylor, A, Sansom, MS

“…The oblique insertion of type 1 viral fusion peptides into the cell membrane of the host cell has been shown previously to be an essential element of viral fusion. …”

Carbon nanotube self-assembly with lipids and detergent: a molecular dynamics study. by Wallace, E, Sansom, MS

“…This study highlights differences in adsorption mechanism of bilayer-forming lipids and detergents on CNTs which may in the future be exploitable to enable enhancement of CNT solubilization whilst minimizing perturbation of cell membrane integrity.…”

A gating mutation at the internal mouth of the Kir6.2 pore is associated with DEND syndrome. by Proks, P, Girard, C, Haider, S, Gloyn, A, Hattersley, A, Sansom, MS, Ashcroft, F

“…Inwardly rectifying potassium (Kir) channels control cell membrane K+ fluxes and electrical signalling in diverse cell types. …”

The alternating access mechanism of transport as observed in the sodium-hydantoin transporter Mhp1. by Weyand, S, Shimamura, T, Beckstein, O, Sansom, MS, Iwata, S, Henderson, P, Cameron, A

“…Secondary active transporters move molecules across cell membranes by coupling this process to the energetically favourable downhill movement of ions or protons along an electrochemical gradient. …”

Insights into how nucleotide-binding domains power ABC transport. by Newstead, S, Fowler, P, Bilton, P, Carpenter, E, Sadler, P, Campopiano, D, Sansom, MS, Iwata, S

“…The mechanism by which nucleotide-binding domains (NBDs) of ABC transporters power the transport of substrates across cell membranes is currently unclear. Here we report the crystal structure of an NBD, FbpC, from the Neisseria gonorrhoeae ferric iron uptake transporter with an unusual and substantial domain swap in the C-terminal regulatory domain. …”

Nucleotide-dependent conformational changes in HisP: molecular dynamics simulations of an ABC transporter nucleotide-binding domain. by Campbell, J, Deol, S, Ashcroft, F, Kerr, I, Sansom, MS

“…ATP-binding cassette (ABC) transporters mediate the movement of molecules across cell membranes in both prokaryotes and eukaryotes. In ABC transporters, solute translocation occurs after ATP is either bound or hydrolyzed at the intracellular nucleotide-binding domains (NBDs). …”

Monotopic enzymes and lipid bilayers: a comparative study. by Fowler, P, Balali-Mood, K, Deol, S, Coveney, P, Sansom, MS

“…Monotopic proteins make up a class of membrane proteins that bind tightly to, but do not span, cell membranes. We examine and compare how two monotopic proteins, monoamine oxidase B (MAO-B) and cyclooxygenase-2 (COX-2), interact with a phospholipid bilayer using molecular dynamics simulations. …”

3-D structural and functional characterization of the purified KATP channel complex Kir6.2-SUR1. by Mikhailov, M, Campbell, J, De Wet, H, Shimomura, K, Zadek, B, Collins, R, Sansom, MS, Ford, R, Ashcroft, F

“…ATP-sensitive potassium (K(ATP)) channels conduct potassium ions across cell membranes and thereby couple cellular energy metabolism to membrane electrical activity. …”

Interaction of monotopic membrane enzymes with a lipid bilayer: a coarse-grained MD simulation study. by Balali-Mood, K, Bond, P, Sansom, MS

“…Monotopic membrane proteins bind tightly to cell membranes but do not generally span the lipid bilayer. …”

Dynamics and function in a bacterial ABC transporter: simulation studies of the BtuCDF system and its components. by Ivetac, A, Campbell, J, Sansom, MS

“…ABC transporters are integral membrane proteins which couple the energy of ATP hydrolysis to the translocation of solutes across cell membranes. BtuCD is a approximately 1100-residue protein found in the inner membrane of Gram-negative bacteria which transports vitamin B12. …”

Molecular dynamics simulations of the dimerization of transmembrane alpha-helices. by Psachoulia, E, Marshall, D, Sansom, MS

“…It may also play a role in signaling across cell membranes. Dimerization of TM helices is a simple example of such lateral association. …”